4-ethyl-3-methoxycarbonyl-2-methyl-7-oxidanylidene-1-(phenylmethyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid

Systemtic Name: 4-ethyl-3-methoxycarbonyl-2-methyl-7-oxidanylidene-1-(phenylmethyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid Openeye Name: 1-benzyl-4-ethyl-3-methoxycarbonyl-2-methyl-7-oxo-pyrrolo[3,2-b]pyridine-6-carboxylic acid CAS Name: 4-ethyl-3-methoxycarbonyl-2-methyl-7-oxo-1-(phenylmethyl)-6-pyrrolo[3,2-b]pyridinecarboxylic acid IUPAC Name: 1-benzyl-4-ethyl-3-methoxycarbonyl-2-methyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid Traditional Name: 1-benzyl-3-carbomethoxy-4-ethyl-7-keto-2-methyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(N2CC3=CC=CC=C3)C)C(=O)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(N2CC3=CC=CC=C3)C)C(=O)OC)C(=O)O

InChI

InChI=1S/C20H20N2O5/c1-4-21-11-14(19(24)25)18(23)17-16(21)15(20(26)27-3)12(2)22(17)10-13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,24,25)